Simetryn
Everything that changed this flow. Back to the flow
74cf672c-34a4-4e7c-857f-af3f03f6e1e6
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'G 32911' (grade code), 'NSC 163051' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=simetryn||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1014-70-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3202c29e02924fdd: {'1014-70-6': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1014-70-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34976']; candidate_pubchem_cids=[13905]; selected_pubchem_cids=[13905]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,563 | bootstrap_labels | prefLabel | — | [{"@value":"simetryn","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 18,564 | bootstrap_labels | name | simetryn | — | Purged legacy name field to enforce prefLabel usage |
| 18,565 | bootstrap_labels | synonyms | ["1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(methylthio)-","1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(methylthio)- (… | [] | Removed legacy synonyms field in favor of structured labels |
| 119,346 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 119,347 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 219,411 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,329 | normalize_name_case | prefLabel | [{"@value":"simetryn","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Simetryn","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,520 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,521 | enrich_references | skos_definition | — | [{"@value":"A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a methylthio group… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,522 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.657I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1014-70-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34976']; candidate_pubchem_cids=[13905]; selected_pubchem_cids=[13905]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,321 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | rdkit_pre_consensus from 'CCNC1=NC(=NC(=N1)SC)NCC'; added: monoisotopic_mass |
| 256,826 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,669 | consensus_match | altLabel | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=simetryn||dimension=Environmental > media=Water > water_body=Ocean; cas=1014-70-6; added Common Chemistry CAS names as altLabel: 1,3,5-Triazine-2,4-diamine, <em>N</em>,<em>N</em>′-diethyl-6-(methylthio)-, 1,3,5-Triazine-2,4-diamine, <em>N</em><sup>2</sup>,<em>N</em><sup>4</sup>-diethyl-6-(methylthio)-, 2,4-Bis(ethylamino)-6-methylmercapto-<em>s</em>-triazine, 2,4-Diethylamino-6-methylthio-1,3,5-triazine, 2-Methylmercapto-4,6-bis(ethylamino)-<em>s</em>-triazine, 2-Methylthio-4-ethylamino-6-ethylamino-<em>s</em>-triazine, 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine, 6-Methylthio-2,4-bis(ethylamino)-<em>s</em>-triazine, <em>N</em>,<em>N</em>′-Diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>N</em><sup>2</sup>,<em>N</em><sup>4</sup>-Diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>s</em>-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-, G 32911, Gybon, NSC 163051, Simetryne; object_uuid=fo-3202c29e02924fdd |
| 271,670 | consensus_match | cas_match_labels | — | {"1014-70-6":"exactMatch"} | group_key=simetryn||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1014-70-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3202c29e02924fdd: {'1014-70-6': 'exactMatch'} |
| 278,546 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine' |
| 285,314 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | rdkit_post_consensus from 'CCNc1nc(NCC)nc(SC)n1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,015 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 2 catalogue altLabel value(s): 'G 32911' (grade code), 'NSC 163051' (registry code) |
| 340,691 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/74cf672c-34a4-… | associations resolved on the elementary layer |
| 392,916 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H15N5S"]… | typed the way the ontology types it |
| 401,602 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,603 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_24527","rdfs:label":"herbicide","http://www.w3.org/2004/02/skos/core#defi… | the substance's answer, copied onto its flow |
PROV-O trail
21 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260820T1416470405690000/18563 | prefLabel | ef:agent/bootstrap_labels | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v0 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v1 |
| ef:activity/change/20260820T1416470405690000/18564 | name | ef:agent/bootstrap_labels | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v1 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v2 |
| ef:activity/change/20260820T1416470405690000/18565 | synonyms | ef:agent/bootstrap_labels | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v2 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v3 |
| ef:activity/change/20260820T1416470405690000/119346 | context | ef:agent/default_context_mapping | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v3 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v4 |
| ef:activity/change/20260820T1416470405690000/119347 | context_iri | ef:agent/default_context_mapping | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v4 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v5 |
| ef:activity/change/20260820T1416470405690000/219411 | unit_iri | ef:agent/unit_normalization | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v5 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v6 |
| ef:activity/change/20260820T1416470405690000/225329 | prefLabel | ef:agent/normalize_name_case | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v6 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v7 |
| ef:activity/change/20260820T1416470405690000/244520 | properties | ef:agent/enrich_references | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v7 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v8 |
| ef:activity/change/20260820T1416470405690000/244521 | skos_definition | ef:agent/enrich_references | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v8 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v9 |
| ef:activity/change/20260820T1416470405690000/244522 | references | ef:agent/enrich_references | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v9 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v10 |
| ef:activity/change/20260820T1416470405690000/253321 | properties | ef:agent/rdkit_pre_consensus | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v10 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v11 |
| ef:activity/change/20260820T1416470405690000/256826 | altLabel | ef:agent/chebi_altlabels | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v11 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v12 |
| ef:activity/change/20260820T1416470405690000/271669 | altLabel | ef:agent/consensus_match | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v12 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v13 |
| ef:activity/change/20260820T1416470405690000/271670 | cas_match_labels | ef:agent/consensus_match | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v13 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v14 |
| ef:activity/change/20260820T1416470405690000/278546 | properties | ef:agent/opsin_iupac | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v14 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v15 |
| ef:activity/change/20260820T1416470405690000/285314 | properties | ef:agent/rdkit_post_consensus | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v15 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v16 |
| ef:activity/change/20260820T1416470405690000/291015 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v16 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v17 |
| ef:activity/change/20260820T1416470405690000/340691 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v17 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v18 |
| ef:activity/change/20260820T1416470405690000/392916 | properties | ef:agent/normalise_property_values | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v18 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v19 |
| ef:activity/change/20260820T1416470405690000/401602 | types | ef:agent/link_flows_to_their_substance | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v19 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v20 |
| ef:activity/change/20260820T1416470405690000/401603 | roles | ef:agent/link_flows_to_their_substance | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v20 | ef:flow/74cf672c-34a4-4e7c-857f-af3f03f6e1e6/v21 |